Chemical Applications of Zero Kinetic Energy (ZEKE) Photoelectron Spectroscopy

Müller‐Dethlefs, Klaus; Schlag, E. W.

doi:10.1002/(sici)1521-3773(19980605)37:10<1346::aid-anie1346>3.0.co;2-h

Cited by 130 publications

(76 citation statements)

References 106 publications

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“…The ZEKE spectroscopy method has been extensively reviewed [85][86][87][88][89][90][91][92][93][94][95] , also in the context of Rydberg state 96 and photoionization dynamics 97 and applied to molecular clusters 98 . Let us recall that ZEKE spectroscopy is based on the pulsed field ionization of very long-lived Rydberg states 9d,99,100 of very high principle quantum numbers (n > 200).…”

Section: Mass-resolved Zeke Spectroscopymentioning

confidence: 99%

The World of Non-Covalent Interactions: 2006

Hobza¹,

Zahradník²,

Müller‐Dethlefs³

2006

Collect. Czech. Chem. Commun.

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247

235

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The review focusses on the fundamental importance of non-covalent interactions in nature by illustrating specific examples from chemistry, physics and the biosciences. Laser spectroscopic methods and both ab initio and molecular modelling procedures used for the study of non-covalent interactions in molecular clusters are briefly outlined. The role of structure and geometry, stabilization energy, potential and free energy surfaces for molecular clusters is extensively discussed in the light of the most advanced ab initio computational results for the CCSD(T) method, extrapolated to the CBS limit. The most important types of non-covalent complexes are classified and several small and medium size non-covalent systems, including H-bonded and improper H-bonded complexes, nucleic acid base pairs, and peptides and proteins are discussed with some detail. Finally, we evaluate the interpretation of experimental results in comparison with state of the art theoretical models: this is illustrated for phenol...Ar, the benzene dimer and nucleic acid base pairs. A review with 270 references.

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Section: Mass-resolved Zeke Spectroscopymentioning

confidence: 99%

The World of Non-Covalent Interactions: 2006

Hobza¹,

Zahradník²,

Müller‐Dethlefs³

2006

Collect. Czech. Chem. Commun.

Self Cite

247

235

View full text Add to dashboard Cite

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“…2 Its generality is mostly related to the fact that photoelectron spectroscopy (PES) does not adhere to stringent selection rules unlike most optical detection methods. Both bright states and dark states can be observed and PES can provide high spectral resolution through techniques such as zero-kinetic energy spectroscopy, 3 as well as high temporal resolution using TRPES. 2 A particularly appealing feature of TRPES is that it can probe the dynamics along the entire reaction co-ordinate, as it is not restricted by Franck-Condon overlap.…”

Section: Introductionmentioning

confidence: 99%

Ultrafast Relaxation Dynamics Observed Through Time-Resolved Photoelectron Angular Distributions

et al. 2010

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“…3,4 This situation is quite different for ionic complexes, which have proven more spectroscopically challenging, and it is only over the past decade that a number of methods have emerged which allow the characterization of both cationic and anionic complexes. [5][6][7][8][9][10][11][12][13] Zero electron kinetic energy (ZEKE) photoelectron spectroscopy has developed into one of the most powerful, highresolution photoelectron spectroscopic techniques for studying cationic molecular complexes. [5][6][7][8][9][10][11] Since the resolution of the method is often not sufficient to obtain rotational resolution for moderately large systems, the general approach for elucidating the structure of a complex using ZEKE spectroscopy relies on the comparison of intermolecular vibrational frequencies obtained from the ZEKE spectrum with harmonic frequencies from an ab initio calculation.…”

Section: Introductionmentioning

confidence: 99%

ZEKE and Hole-Burning Spectroscopy of the Rotational Isomers of Resorcinol·CO

1999

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Two rotational isomers of resorcinol‚CO were investigated using zero electron kinetic energy (ZEKE) photoelectron spectroscopy. Vibrational progressions and combination bands of the in-plane-bend, stretch and in-plane-wag intermolecular modes were observed in the spectra of each isomer. While the frequencies of these intermolecular modes were similar for both isomers, the Franck-Condon patterns for vibrational excitation were notably different, indicating that the isomers experience distinctive geometry changes upon ionization. Ab initio calculations at the MP2/6-31G* level of theory predict the existence of many stable isomers of resorcinol‚CO, with the three lowest energy minima corresponding to structures where the CO molecule binds through its carbon atom to one OH group of resorcinol. The calculations were used to assign the vibrational features in the ZEKE spectra and distinguish the rotational isomers observed.

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Chemical Applications of Zero Kinetic Energy (ZEKE) Photoelectron Spectroscopy

Cited by 130 publications

References 106 publications

The World of Non-Covalent Interactions: 2006

The World of Non-Covalent Interactions: 2006

Ultrafast Relaxation Dynamics Observed Through Time-Resolved Photoelectron Angular Distributions

ZEKE and Hole-Burning Spectroscopy of the Rotational Isomers of Resorcinol·CO

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